16 Lattice="42.0 0.0 0.0 0.0 42.0 0.0 0.0 0.0 42.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=-16.25678693513529 stress="-0.0004081484513897789 -2.5626282862826113e-05 6.0044638472311956e-05 -2.5626282862826113e-05 -0.00029964129193128927 -0.00013966105248363665 6.0044638472311956e-05 -0.00013966105248363665 -0.0003924091411185317" free_energy=-16.25678693513529 pbc="F F F" Cr 20.91870436 21.04860922 21.20118821 -0.38783277 -0.12262789 -0.25462683 Cr 22.70960170 22.31143450 22.33833517 -0.99770147 4.28291979 2.62225600 Cr 23.78829595 20.83509776 21.14041416 1.86930547 -2.73929721 -2.40638510 Cr 25.27812781 22.51878885 22.60054414 2.08396841 3.01780155 -2.93913945 Cr 21.00812325 23.95894820 21.46238060 -3.42568690 -2.71699617 -1.64999213 Cr 22.56504129 25.20865944 22.36550211 -4.45488929 9.35967313 7.47162669 Cr 23.78802619 24.22277084 21.18584377 7.22786106 -5.64094336 -7.36857616 Cr 25.40955323 25.48086654 22.83050726 0.55543159 0.24464026 -0.17405393 Cr 21.26959405 21.37914956 23.93745809 -2.75655290 -2.12351093 -1.48670124 Cr 22.50581744 22.44016584 25.47483729 3.10167218 1.05529385 2.73313947 Cr 24.25067569 20.95774659 23.84337532 -3.59575423 -4.05289366 0.96972472 Cr 25.58780002 22.38825682 25.05262053 1.17549188 2.08511117 2.43536437 Cr 21.19178619 24.17895518 24.29140871 -1.24748969 -0.24313669 -1.02154944 Cr 22.89733556 25.53253581 25.64904689 -0.97755396 1.31287738 1.36404700 Cr 23.78091226 24.10609294 24.02813997 0.89006877 -3.60178129 -0.50691909 Cr 25.43960884 25.14860539 25.58396028 0.93966185 -0.11712990 0.21178512